(4-methylphenyl)methyl 3-(acetyloxymethyl)-2-ethyl-4-(3-methylimidazol-4-yl)butanoate

Systemtic Name: (4-methylphenyl)methyl 3-(acetyloxymethyl)-2-ethyl-4-(3-methylimidazol-4-yl)butanoate Openeye Name: p-tolylmethyl 3-(acetoxymethyl)-2-ethyl-4-(3-methylimidazol-4-yl)butanoate CAS Name: 3-(acetyloxymethyl)-2-ethyl-4-(3-methyl-4-imidazolyl)butanoic acid (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl 3-(acetyloxymethyl)-2-ethyl-4-(3-methylimidazol-4-yl)butanoate Traditional Name: 3-(acetoxymethyl)-2-ethyl-4-(3-methylimidazol-4-yl)butyric acid (4-methylbenzyl) ester Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CC1=CN=CN1C)COC(=O)C)C(=O)OCC2=CC=C(C=C2)C

Isomeric SMILES

CCC(C(CC1=CN=CN1C)COC(=O)C)C(=O)OCC2=CC=C(C=C2)C

InChI

InChI=1S/C21H28N2O4/c1-5-20(21(25)27-12-17-8-6-15(2)7-9-17)18(13-26-16(3)24)10-19-11-22-14-23(19)4/h6-9,11,14,18,20H,5,10,12-13H2,1-4H3